Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200591736> ?p ?o ?g. }
Showing items 1 to 80 of
80
with 100 items per page.
- W4200591736 endingPage "132139" @default.
- W4200591736 startingPage "132139" @default.
- W4200591736 abstract "• Di-, tri- and tetravalent metal ion PVA films are tested for defluoridation. • DFT calculations prove that zirconium ions form the most stable complex with PVA. • PVA-Zr films remove 90% fluoride from 5 mg L −1 fluoride solution. • Fluoride binding occurs by ligand to metal charge transfer interactions. • PVA-Zr films lower fluoride content to 0.9 mg L −1 in a groundwater sample. Divalent, trivalent and tetravalent metal ion complexed polyvinyl alcohol (PVA) films are synthesised via solvent casting and used for fluoride removal from groundwater. Scanning electron microscopy depicts a variation in the morphology on the incorporation of these metal ions, while energy dispersive spectroscopy confirms the presence of the metal ions in the films. XRD analysis shows a decreased degree of crystallinity while TGA affirms the thermal stability of the metal ion complexed PVA films. The possible metal ion-binding interactions to PVA chains are elucidated by Density Functional Theory calculations. The quantum reactivity descriptors and natural bond orbital analysis assert that the complexation of two PVA chains with Zr 4+ [(PVA) 2 Zr 2 (OH) 4 ] is highly stable. The fluoride uptake by (PVA) 2 Zr 2 (OH) 4 is thermodynamically favourable and occurs mainly by ligand to metal charge transfer interactions. Experimental fluoride adsorption studies confirm that PVA-Zr films remove ∼90% fluoride from 5 mg L −1 fluoride solution at pH 3–7. Moreover, the PVA-Zr films lower the fluoride content from 2.84 mg L −1 to 0.9 mg L −1 in the groundwater sample, which is below the permissible limit. Thus, it is proven experimentally and computationally that PVA-Zr films have potential commercial applicability in fluoride remediation." @default.
- W4200591736 created "2021-12-31" @default.
- W4200591736 creator A5022485345 @default.
- W4200591736 creator A5029026656 @default.
- W4200591736 creator A5032439371 @default.
- W4200591736 date "2022-03-01" @default.
- W4200591736 modified "2023-10-18" @default.
- W4200591736 title "Experimental and computational investigation of divalent, trivalent, and tetravalent metal ion complexes of polyvinyl alcohol as adsorbents for fluoride remediation" @default.
- W4200591736 cites W1974886244 @default.
- W4200591736 cites W1978772984 @default.
- W4200591736 cites W2018274106 @default.
- W4200591736 cites W2018730408 @default.
- W4200591736 cites W2029667189 @default.
- W4200591736 cites W2041821245 @default.
- W4200591736 cites W2051470891 @default.
- W4200591736 cites W2074679037 @default.
- W4200591736 cites W2196604006 @default.
- W4200591736 cites W2314950728 @default.
- W4200591736 cites W2325476712 @default.
- W4200591736 cites W2902709889 @default.
- W4200591736 cites W2920685561 @default.
- W4200591736 cites W2926641822 @default.
- W4200591736 cites W2982964838 @default.
- W4200591736 cites W3004533083 @default.
- W4200591736 cites W3094493980 @default.
- W4200591736 cites W3130417414 @default.
- W4200591736 cites W3207791150 @default.
- W4200591736 cites W4241261367 @default.
- W4200591736 doi "https://doi.org/10.1016/j.molstruc.2021.132139" @default.
- W4200591736 hasPublicationYear "2022" @default.
- W4200591736 type Work @default.
- W4200591736 citedByCount "2" @default.
- W4200591736 countsByYear W42005917362022 @default.
- W4200591736 crossrefType "journal-article" @default.
- W4200591736 hasAuthorship W4200591736A5022485345 @default.
- W4200591736 hasAuthorship W4200591736A5029026656 @default.
- W4200591736 hasAuthorship W4200591736A5032439371 @default.
- W4200591736 hasConcept C116569031 @default.
- W4200591736 hasConcept C150394285 @default.
- W4200591736 hasConcept C170493617 @default.
- W4200591736 hasConcept C178790620 @default.
- W4200591736 hasConcept C179104552 @default.
- W4200591736 hasConcept C185592680 @default.
- W4200591736 hasConcept C199164860 @default.
- W4200591736 hasConcept C2778551929 @default.
- W4200591736 hasConcept C2780828025 @default.
- W4200591736 hasConcept C534791751 @default.
- W4200591736 hasConcept C544153396 @default.
- W4200591736 hasConcept C55493867 @default.
- W4200591736 hasConceptScore W4200591736C116569031 @default.
- W4200591736 hasConceptScore W4200591736C150394285 @default.
- W4200591736 hasConceptScore W4200591736C170493617 @default.
- W4200591736 hasConceptScore W4200591736C178790620 @default.
- W4200591736 hasConceptScore W4200591736C179104552 @default.
- W4200591736 hasConceptScore W4200591736C185592680 @default.
- W4200591736 hasConceptScore W4200591736C199164860 @default.
- W4200591736 hasConceptScore W4200591736C2778551929 @default.
- W4200591736 hasConceptScore W4200591736C2780828025 @default.
- W4200591736 hasConceptScore W4200591736C534791751 @default.
- W4200591736 hasConceptScore W4200591736C544153396 @default.
- W4200591736 hasConceptScore W4200591736C55493867 @default.
- W4200591736 hasLocation W42005917361 @default.
- W4200591736 hasOpenAccess W4200591736 @default.
- W4200591736 hasPrimaryLocation W42005917361 @default.
- W4200591736 hasRelatedWork W1784808072 @default.
- W4200591736 hasRelatedWork W1946859525 @default.
- W4200591736 hasRelatedWork W1975039292 @default.
- W4200591736 hasRelatedWork W1978426543 @default.
- W4200591736 hasRelatedWork W1978565599 @default.
- W4200591736 hasRelatedWork W2058107943 @default.
- W4200591736 hasRelatedWork W2084895845 @default.
- W4200591736 hasRelatedWork W2178806065 @default.
- W4200591736 hasRelatedWork W2952723121 @default.
- W4200591736 hasRelatedWork W2557152585 @default.
- W4200591736 hasVolume "1252" @default.
- W4200591736 isParatext "false" @default.
- W4200591736 isRetracted "false" @default.
- W4200591736 workType "article" @default.